N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

C8H12N2O2S2 — CID 134420579

IUPACN-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CSC1=S
InChIInChI=1S/C8H12N2O2S2/c1-2-9-6(11)3-4-10-7(12)5-14-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyYSJYFNALUSVNLP-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.37
Rot. Bonds4

About N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (PubChem CID 134420579) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
PubChem CID134420579
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC NameN-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CSC1=S
InChIInChI=1S/C8H12N2O2S2/c1-2-9-6(11)3-4-10-7(12)5-14-8(10)13/h2-5H2,1H3,(H,9,11)
InChIKeyYSJYFNALUSVNLP-UHFFFAOYSA-N
XLogP0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (CID 134420579) is N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is CCNC(=O)CCN1C(=O)CSC1=S.
What is the InChIKey of N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YSJYFNALUSVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-2-9-6(11)3-4-10-7(12)5-14-8(10)13/h2-5H2,1H3,(H,9,11).
What are the key properties of N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 232.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 134420579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).